Geometry & MOs

Info

ID:	159627
PubChem CID:	57288552
Reduced:	SN4O4C19H22 (1)
Stoich.:	AB4C4D19E22 (1)
Weight, g/mol:	499.177707
ΔH_f, kcal/mol:	-65.08
Dipole, Da:	5.68
IP(EA), eV:	-8.9(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[(2S)-2-[1-hydroxy-2-(4-nitrophenyl)sulfanylethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCSCCNC(=O)C(C#N)C(=O)C(C)OC1=CC=C(C=C1)OC2=NC=CN2

DOS

IR

Vibrations